SCHEMBL12822962

SCHEMBL12822962

CCCC(O)c1ccc(-c2ccc(CCc3ccc(-c4ccc(OCC)cc4F)cc3)c(F)c2F)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.39
▸ S1PR1 P21453 4/20 0.39
▸ S1PR3 Q99500 3/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ RARB P10826 1/20 0.35
▸ ADRB2 P07550 1/20 0.35
▸ ADRB1 P08588 1/20 0.35
▸ FFAR1 O14842 2/20 0.34
▸ FFAR4 Q5NUL3 2/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HRH1 P35367 1/20 0.34
▸ APP P05067 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HMOX1 P09601 1/20 0.34
▸ AKR1C3 P42330 1/20 0.32
▸ AKR1C2 P52895 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12718554 0.95 MEN1 (0.40) PTGS2S1PR1S1PR3MEN1KMT2A
SCHEMBL10303053 0.90 S1PR1 (0.40) PTGS2S1PR1S1PR3RARBADRB2
SCHEMBL12822692 0.89 S1PR1 (0.40) PTGS2S1PR1S1PR3MEN1KMT2A
SCHEMBL12821157 0.89 PTGS2 (0.43) PTGS2S1PR1S1PR3RARBADRB2
SCHEMBL12822073 0.88 S1PR1 (0.39) S1PR1S1PR3RARBFFAR1APP
SCHEMBL12823334 0.88 MEN1 (0.42) PTGS2MEN1KMT2AFFAR1FFAR4
SCHEMBL13586170 0.87 FFAR4 (0.35) S1PR1S1PR3MEN1KMT2AFFAR4
SCHEMBL12717002 0.87 FFAR4 (0.35) S1PR1S1PR3MEN1KMT2AFFAR4
SCHEMBL12717273 0.86 S1PR1 (0.42) PTGS2S1PR1S1PR3RARBFFAR1
SCHEMBL14766015 0.86 FFAR4 (0.41) PTGS2S1PR1S1PR3RARBFFAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 — — US disclosed
WO-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 PTGS2 3919/4885S1PR1 1190/4885S1PR3 757/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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